- InChI
- InChI=1S/C16H28O4/c1-5-7-8-10-14(4)20-16(18)12-11-15(17)19-13(3)9-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3
- InChI Key
- ZDBPPVSRRZUSCK-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
-
C=CCC(C)OC(=O)CCC(=O)OC(C)CCCC
C - Molecular Weight1
- 284.40
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -921.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.786 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Inp | [1763.00; 1763.00] |
|
|
| Inp | 1763.00 | NIST | |
| Inp | 1763.00 | NIST | |
| Tboil | 560.53 | K | Relay (1.0) Calculated Property |
| Tc | 734.18 | K | Relay (1.0) Calculated Property |
| Tfus | 239.92 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.01; 796.17] | J/mol×K | [713.86; 895.86] |
|
| Cp,gas | 710.01 | J/mol×K | 713.86 | Joback Calculated Property |
| Cp,gas | 726.47 | J/mol×K | 744.19 | Joback Calculated Property |
| Cp,gas | 742.08 | J/mol×K | 774.53 | Joback Calculated Property |
| Cp,gas | 756.84 | J/mol×K | 804.86 | Joback Calculated Property |
| Cp,gas | 770.77 | J/mol×K | 835.20 | Joback Calculated Property |
| Cp,gas | 783.88 | J/mol×K | 865.53 | Joback Calculated Property |
| Cp,gas | 796.17 | J/mol×K | 895.86 | Joback Calculated Property |
| η | [0.0000837; 0.0018739] | Pa×s | [382.64; 713.86] |
|
| η | 0.0018739 | Pa×s | 382.64 | Joback Calculated Property |
| η | 0.0008051 | Pa×s | 437.84 | Joback Calculated Property |
| η | 0.0004179 | Pa×s | 493.05 | Joback Calculated Property |
| η | 0.0002476 | Pa×s | 548.25 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 603.45 | Joback Calculated Property |
| η | 0.0001130 | Pa×s | 658.66 | Joback Calculated Property |
| η | 0.0000837 | Pa×s | 713.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl pent-4-en-2-yl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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